REMARK  Name = BDB006088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.983  -0.948   0.907  0.00  0.00    -0.174 NA
ATOM      2  C   LIG    1        0.707  -1.650   1.263  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -0.502  -1.087   0.491  0.00  0.00    +0.102 C 
ATOM      4  N   LIG    1       -0.738   0.357   0.683  0.00  0.00    -0.293 NA
ATOM      5  C   LIG    1        0.496   1.058   1.091  0.00  0.00    +0.102 C 
ATOM      6  C   LIG    1        1.759   0.462   0.445  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1        3.019  -1.879  -0.081  0.00  0.00    +0.061 S 
ATOM      8  O   LIG    1        3.275  -3.132   0.597  0.00  0.00    -0.153 OA
ATOM      9  O   LIG    1        2.475  -1.855  -1.423  0.00  0.00    -0.153 OA
BRANCH   7  13
ATOM     10  C   LIG    1        6.908   0.513  -0.008  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        6.453  -0.142   1.142  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        5.266  -0.877   1.121  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        4.528  -0.946  -0.061  0.00  0.00    +0.106 A 
ATOM     14  C   LIG    1        4.973  -0.304  -1.218  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1        6.165   0.428  -1.188  0.00  0.00    +0.047 A 
BRANCH  10  17
ATOM     16  C   LIG    1        8.618   1.839  -0.995  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        8.082   1.196   0.155  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   7  13
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1       -1.845   0.680   1.597  0.00  0.00    +0.158 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.188   0.504   0.881  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1       -3.881  -0.676   1.050  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -3.495  -1.403   1.636  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -5.080  -0.970   0.463  0.00  0.00    +0.162 A 
ATOM     23  C   LIG    1       -5.617   0.093  -0.391  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1       -6.825  -0.099  -1.034  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1       -7.519  -1.377  -0.825  0.00  0.00    +0.273 A 
ATOM     26  N   LIG    1       -6.891  -2.282   0.007  0.00  0.00    -0.241 N 
ATOM     27  H   LIG    1       -7.357  -3.171   0.160  0.00  0.00    +0.192 HD
ATOM     28  O   LIG    1       -8.594  -1.611  -1.364  0.00  0.00    -0.266 OA
ATOM     29  C   LIG    1       -7.338   0.911  -1.848  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1       -6.619   2.102  -1.997  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -5.395   2.280  -1.336  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -4.875   1.274  -0.520  0.00  0.00    +0.077 A 
ATOM     33  N   LIG    1       -5.695  -2.101   0.649  0.00  0.00    -0.153 NA
ATOM     34  N   LIG    1       -3.638   1.480   0.135  0.00  0.00    -0.232 NA
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5